This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration. This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration.

trans,trans-1,3,11-Tridecatriene-5,7,9-triyne

PubChem CID: 5322028

Connections displayed (default: 10).
Loading graph...

Compound Synonyms 3-[p-Methoxyphenyl]-4-chloroquinoline, 4-Chloro-3-(4-methoxyphenyl)quinoline, trans,trans-1,3,11-Tridecatriene-5,7,9-triyne, 1,3(E),11(E)-Tridecatrien-5,7,9-triyne, 1,3,11-Tridecatriene-5,7,9-triyne, (E,E)-, 50739-51-0, KAGUESUDHDXNCN-YDFGWWAZSA-N, Trideca-5,7,9-triin-1,3,11-trien, 3E,11E-Trideca-1,3,11-triene-5,7,9-triyne
Topological Polar Surface Area 0.0
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 13.0
Description 3e,11e-trideca-1,3,11-triene-5,7,9-triyne is a member of the class of compounds known as enynes. Enynes are hydrocarbons containing an alkene and an alkyne group. 3e,11e-trideca-1,3,11-triene-5,7,9-triyne can be found in safflower, which makes 3e,11e-trideca-1,3,11-triene-5,7,9-triyne a potential biomarker for the consumption of this food product.
Isotope Atom Count 0.0
Molecular Complexity 404.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name (3E,11E)-trideca-1,3,11-trien-5,7,9-triyne
Prediction Hob 1.0
Class Unsaturated hydrocarbons
Xlogp 3.9
Superclass Hydrocarbons
Subclass Enynes
Molecular Formula C13H10
Prediction Swissadme 0.0
Inchi Key KAGUESUDHDXNCN-YDFGWWAZSA-N
Fcsp3 0.0769230769230769
Logs -4.421
Rotatable Bond Count 3.0
Logd 2.54
Compound Name trans,trans-1,3,11-Tridecatriene-5,7,9-triyne
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 166.078
Formal Charge 0.0
Monoisotopic Mass 166.078
Hydrogen Bond Acceptor Count 0.0
Molecular Weight 166.22
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 2.0
Molecular Framework Aliphatic acyclic compounds
Esol -3.2678826
Inchi InChI=1S/C13H10/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-7H,1H2,2H3/b6-4+,7-5+
Smiles C/C=C/C#CC#CC#C/C=C/C=C
Nring 0.0
Defined Bond Stereocenter Count 2.0
Taxonomy Direct Parent Enynes